chempirical

2-Chloro-5-fluoronicotinonitrile

C6H2ClFN2CAS 791644-48-9156.54 g/mol

Open in Covalent MOL file
NNClF
Aryl halideNitrile

Properties

Molecular formula
C6H2ClFN2
Molar mass
156.54 g/mol
Exact mass
155.9891 Da
logP
1.75Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
791644-48-9
SMILES
C1=C(C=NC(=C1C#N)Cl)F
InChIKey
SUBZTZVHVGYOPM-UHFFFAOYSA-N
InChI
InChI=1S/C6H2ClFN2/c7-6-4(2-9)1-5(8)3-10-6/h1,3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 2-Chloro-5-fluoropyridine-3-carbonitrile

Work with 2-Chloro-5-fluoronicotinonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-959 % similar 2-Chloro-5-iodo-3-pyridinecarbonitrile766515-34-859 % similar 2,3-Dichloro-5-fluoropyridine185985-40-453 % similar 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile82671-02-151 % similar 2-Chloro-5-nitropyridine-3-carbonitrile31309-08-750 % similar 2-Chloro-5-fluoro-3-methylpyridine38186-84-450 % similar 3-Bromo-2-chloro-5-fluoropyridine884494-36-450 % similar 2-Chloro-5-fluoro-3-pyridinamine884495-37-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook